The current validation separates angle correctness, Rama8000 standard validation and native RamplotR density regions.
The five pinned structures are 1CRN, 1UBQ, 6VXX, 2DQ4 and model 1 of 1D3Z. Exact coordinate and official wwPDB validation-report SHA256 hashes are stored in the source manifest.
| Structure | Method | Matched finite phi/psi pairs | Maximum circular difference |
|---|---|---|---|
| 1CRN | X-ray | 44/44 | 0.052° |
| 1UBQ | X-ray | 74/74 | 0.054° |
| 6VXX | cryo-EM | 2,844/2,844 | 0.055° |
| 2DQ4 | X-ray | 682/682 | 0.055° |
| 1D3Z | NMR, model 1 | 74/74 | 0.055° |
All 3,718/3,718 eligible pairs reproduce the independently reported wwPDB angles to within 0.055°. The official XML prints angles to one decimal place.
RamplotR's six-class Rama8000 implementation is compared directly with the official wwPDB Favored/Allowed/Outlier labels. No native RamplotR category mapping is used.
| Structure | Comparable residues | Exact category matches | Agreement |
|---|---|---|---|
| 1CRN | 44 | 44 | 100% |
| 1UBQ | 74 | 74 | 100% |
| 6VXX | 2,844 | 2,844 | 100% |
| 2DQ4 | 682 | 682 | 100% |
| 1D3Z | 74 | 74 | 100% |
| Total | 3,718 | 3,718 | 100% |
The exact snapshot is pinned in rama8000-baseline-2026-10-06.csv. CI requires the same pinned sources to continue reproducing every category.
For 2DQ4, all seven official wwPDB Ramachandran outliers are also classified as Rama8000 Outlier by RamplotR. Their native RamplotR density regions are shown separately: six are Generously allowed and one is Allowed. The exact residue identities and both current outputs are pinned in 2dq4-wwpdb-outlier-examples.csv.
Use Rama8000 when referring to standard Favored/Allowed/Outlier validation.
Use RamplotR density regions when discussing the selected exploratory
density reference. The native label Not allowed is not a synonym for
Rama8000/wwPDB Outlier.
See Rama8000 standard validation for the implementation and the reproducible wwPDB protocol for source handling.